UCSF

ZINC23042621

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 29 No

Popular Name: 4-[[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]methyl]-6-isopropyl-7-methyl-chromen-2-one 4-[[(2-chloro-5-nitro-phenyl)met…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.10 15.36 -62.48 1 6 1 80 415.897 6 ↓
Hi High (pH 8-9.5) 5.10 13.61 -14.78 0 6 0 79 414.889 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.